4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide

C22H25N5O3 — CID 71288536

IUPAC4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N(C)C2CC2)cnn1C
InChIInChI=1S/C22H25N5O3/c1-14-18(25-21(30-14)15-7-5-4-6-8-15)11-12-23-20(28)19-17(13-24-27(19)3)22(29)26(2)16-9-10-16/h4-8,13,16H,9-12H2,1-3H3,(H,23,28)
InChIKeySDWRUYCVONHQGM-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.59
Rot. Bonds7

About 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide

4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide (PubChem CID 71288536) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide
PubChem CID71288536
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N(C)C2CC2)cnn1C
InChIInChI=1S/C22H25N5O3/c1-14-18(25-21(30-14)15-7-5-4-6-8-15)11-12-23-20(28)19-17(13-24-27(19)3)22(29)26(2)16-9-10-16/h4-8,13,16H,9-12H2,1-3H3,(H,23,28)
InChIKeySDWRUYCVONHQGM-UHFFFAOYSA-N
XLogP2.59
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide (CID 71288536) is 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N(C)C2CC2)cnn1C.
What is the InChIKey of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide?
The InChIKey is SDWRUYCVONHQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-18(25-21(30-14)15-7-5-4-6-8-15)11-12-23-20(28)19-17(13-24-27(19)3)22(29)26(2)16-9-10-16/h4-8,13,16H,9-12H2,1-3H3,(H,23,28).
What are the key properties of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide?
4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 71288536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).